Mean field approximation and ab initio calculation of magnetic and optical properties of DyN doped with transition metals (TM: V and Cr)

被引：0

作者：

Rouchdi, M. ^{[1
]}

Salmani, E. ^{[2
]}

Ez-Zahraouy, H. ^{[2
]}

Hassanain, N. ^{[1
]}

Benyoussef, A. ^{[3
]}

Mzerd, A. ^{[1
]}

机构：

[1] Mohammed V Univ, Ctr Rech Energie, Equipe Semicond & Technol Capteur Environm STCE, Fac Sci, BP 1014, Rabat, Morocco

[2] Lab Matiere Condensee & Sci Interdisciplinaires L, Rabat, Morocco

[3] MAScIR, Inst Nanomat & Nanotechnol, Rabat, Morocco

来源：

JOURNAL OF COMPUTATIONAL ELECTRONICS | 2018年 / 17卷 / 01期

关键词：

Ab initio calculation; KKR-CPA; Diluted magnetic semiconductor; DyN and K-edge X-ray absorption; RARE-EARTH; FERROMAGNETISM; MN; FE; NI; CO;

D O I：

10.1007/s10825-017-1103-7

中图分类号：

TM [电工技术]; TN [电子技术、通信技术];

学科分类号：

0808 ; 0809 ;

摘要：

The structural, optical, and magnetic properties of rare earth nitride Dy0.95TM0.05N (TM: V and Cr) diluted magnetic semiconductors have been investigated using the Korringa-Kohn-Rostoker method combined with the coherent potential approximation. In this work, the effect of GGA-SIC approximations on the electronic properties was investigated in detail. It is revealed from calculating the density of states (DOS) and optical absorption spectra that the ferromagnetic state is stable when TM introduces magnetic moments in Dy0.95TM0.05N (TM: V and Cr). Using the mean field approximation (MFA), the Curie temperature is determined by the total energy difference per V and Cr atoms between the disorder local moment (DLM) and ferromagnetic (FM) state within the ambient conditions, which becomes more important by increasing the concentration or by co-doping (V, Cr) DyN systems.

引用

页码：35 / 42

页数：8

共 35 条

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